≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=CC(=C(O1)C)S |
|---|---|
| IUPAC Name | 2,5-dimethylfuran-3-thiol |
| InChIKey | DBBHCZMXKBCICL-UHFFFAOYSA-N |
| INCHI | 1S/C6H8OS/c1-4-3-6(8)5(2)7-4/h3,8H,1-2H3 |
| Isomeric SMILES | CC1=CC(=C(O1)C)S |
| RTECS | LU6230000 |
| UN Number | 3336 |
| Molecular Weight | 128.19 |
| Reaxy-Rn | 6591508 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6591508&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Heteroaromatic compounds |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Heteroaromatic compounds |
| Alternative Parents | Furans Oxacyclic compounds Thiols Organooxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Heteroaromatic compound - Furan - Oxacycle - Arylthiol - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. |
| External Descriptors | Not available |
| Sensitivity | air sensitive |
|---|---|
| Refractive Index | 1.51 |
| Flash Point(°C) | 57 °C |
| Boil Point(°C) | 150 °C/10 mmHg |
| Molecular Weight | 128.190 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 128.03 Da |
| Monoisotopic Mass | 128.03 Da |
| Topological Polar Surface Area | 14.100 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 84.600 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
D1522066